Geometry & MOs

Info

ID:	72890
PubChem CID:	48416654
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	413.07503
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	3.93
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(2-bromo-4-fluorophenoxy)propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCCC2=NC(=NO2)C3=CC=C(C=C3)F)N4CCNC4=O

DOS

IR

Vibrations